1-[3-[(2-dimethylaminoethylamino)methyl]-5-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)purin-9-yl]phenyl]urea

Systemtic Name: 1-[3-[(2-dimethylaminoethylamino)methyl]-5-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)purin-9-yl]phenyl]urea Openeye Name: 1-[3-[(2-dimethylaminoethylamino)methyl]-5-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)purin-9-yl]phenyl]urea CAS Name: 1-[3-[(2-dimethylaminoethylamino)methyl]-5-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)-9-purinyl]phenyl]urea IUPAC Name: 1-[3-[(2-dimethylaminoethylamino)methyl]-5-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)purin-9-yl]phenyl]urea Traditional Name: 1-[3-[(2-dimethylaminoethylamino)methyl]-5-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)purin-9-yl]phenyl]urea Formula: C25H28F3N9O MolecularWeight: 527.54473

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2C3=CC=C(C=C3)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)CNCCN(C)C

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2C3=CC=C(C=C3)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)CNCCN(C)C

InChI

InChI=1S/C25H28F3N9O/c1-29-22-21-23(32-14-31-22)37(15-33-21)20-6-4-18(5-7-20)34-24(38)35-19-11-16(13-30-8-9-36(2)3)10-17(12-19)25(26,27)28/h4-7,10-12,14-15,30H,8-9,13H2,1-3H3,(H,29,31,32)(H2,34,35,38)